1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

C24H30N4O2 — CID 3194405

IUPAC1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCc1ccc2cc(CN(CCCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C24H30N4O2/c1-17-11-12-19-15-20(23(29)26-22(19)18(17)2)16-28(14-8-13-27(3)4)24(30)25-21-9-6-5-7-10-21/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyMUOVKBKNYFNYOB-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.13
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (PubChem CID 3194405) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
PubChem CID3194405
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCc1ccc2cc(CN(CCCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C24H30N4O2/c1-17-11-12-19-15-20(23(29)26-22(19)18(17)2)16-28(14-8-13-27(3)4)24(30)25-21-9-6-5-7-10-21/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyMUOVKBKNYFNYOB-UHFFFAOYSA-N
XLogP4.13
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (CID 3194405) is 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is Cc1ccc2cc(CN(CCCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The InChIKey is MUOVKBKNYFNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17-11-12-19-15-20(23(29)26-22(19)18(17)2)16-28(14-8-13-27(3)4)24(30)25-21-9-6-5-7-10-21/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,25,30)(H,26,29).
What are the key properties of 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea has a molecular weight of 406.53 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 3194405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).